6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol

C14H18O4Si — CID 159151344

IUPAC6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol
SMILESCC(C)(C)c1ccc2c(O)c(O)c([SiH2]O)c(O)c2c1
InChIInChI=1S/C14H18O4Si/c1-14(2,3)7-4-5-8-9(6-7)11(16)13(19-18)12(17)10(8)15/h4-6,15-18H,19H2,1-3H3
InChIKeyQTFSFSMQLACGLS-UHFFFAOYSA-N
MW278.38 g/mol
LogP0.96
Rot. Bonds1

About 6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol

6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol (PubChem CID 159151344) has the molecular formula C14H18O4Si and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol.

Molecular Properties

Compound Name6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol
PubChem CID159151344
Molecular FormulaC14H18O4Si
Molecular Weight278.38 g/mol
Exact Mass278.10
IUPAC Name6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol
SMILESCC(C)(C)c1ccc2c(O)c(O)c([SiH2]O)c(O)c2c1
InChIInChI=1S/C14H18O4Si/c1-14(2,3)7-4-5-8-9(6-7)11(16)13(19-18)12(17)10(8)15/h4-6,15-18H,19H2,1-3H3
InChIKeyQTFSFSMQLACGLS-UHFFFAOYSA-N
XLogP0.96
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

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3,6-ditert-butyl-1-[(dimethylamino)methyl]naphthalen-2-ol
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(5-tert-butyl-2-hydroxyphenyl)-trimethylazanium
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4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol
CID 10351338
2,8-ditert-butyldibenzofuran
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5,12,21,28-tetratert-butyl-16-methoxyheptacyclo[16.12.0.02,15.03,8.09,14.019,24.025,30]triaconta-1,3(8),4,6,9(14),10,12,15,17,19(24),20,22,25(30),26,28-pentadecaene
CID 71614995
6-tert-butyl-3,4-diphenylnaphthalen-1-ol
CID 138969967
azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium
CID 87380509
(3,7-ditert-butylnaphthalen-1-yl)boronic acid
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CID 101211334

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol?
The IUPAC name of 6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol (CID 159151344) is 6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol.
What is the SMILES notation for 6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol?
The canonical SMILES for 6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol is CC(C)(C)c1ccc2c(O)c(O)c([SiH2]O)c(O)c2c1.
What is the InChIKey of 6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol?
The InChIKey is QTFSFSMQLACGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4Si/c1-14(2,3)7-4-5-8-9(6-7)11(16)13(19-18)12(17)10(8)15/h4-6,15-18H,19H2,1-3H3.
What are the key properties of 6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol?
6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol has a molecular weight of 278.38 g/mol, XLogP of 0.96, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-hydroxysilylnaphthalene-1,2,4-triol is sourced from PubChem (CID 159151344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).